ethyl N-(4-aminophenyl)carbamate

C9H12N2O2 — CID 12731941

IUPACethyl N-(4-aminophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeySABZQUOBNXDLDV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.84
Rot. Bonds2

About ethyl N-(4-aminophenyl)carbamate

ethyl N-(4-aminophenyl)carbamate (PubChem CID 12731941) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-aminophenyl)carbamate
PubChem CID12731941
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl N-(4-aminophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeySABZQUOBNXDLDV-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl N-(4-aminophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-aminophenyl)carbamate?
The IUPAC name of ethyl N-(4-aminophenyl)carbamate (CID 12731941) is ethyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-aminophenyl)carbamate?
The canonical SMILES for ethyl N-(4-aminophenyl)carbamate is CCOC(=O)Nc1ccc(N)cc1.
What is the InChIKey of ethyl N-(4-aminophenyl)carbamate?
The InChIKey is SABZQUOBNXDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12).
What are the key properties of ethyl N-(4-aminophenyl)carbamate?
ethyl N-(4-aminophenyl)carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 12731941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).